Geometry & MOs

Info

ID:	272751
PubChem CID:	103754899
Reduced:	BrFO2N3H7C11 (1)
Stoich.:	ABC2D3E7F11 (1)
Weight, g/mol:	323.02694
ΔH_f, kcal/mol:	-61.2
Dipole, Da:	2.16
IP(EA), eV:	-9.52(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)NC(=O)C2=NNC(=O)C=C2)Br

DOS

IR

Vibrations